ethane;1-phenylpropan-2-ylbenzene

C17H22 — CID 142097323

IUPACethane;1-phenylpropan-2-ylbenzene
SMILESCC.CC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16.C2H6/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;1-2/h2-11,13H,12H2,1H3;1-2H3
InChIKeyZLEKQZZKYJZIAQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.06
Rot. Bonds3

About ethane;1-phenylpropan-2-ylbenzene

ethane;1-phenylpropan-2-ylbenzene (PubChem CID 142097323) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethane;1-phenylpropan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-phenylpropan-2-ylbenzene
PubChem CID142097323
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Nameethane;1-phenylpropan-2-ylbenzene
SMILESCC.CC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16.C2H6/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;1-2/h2-11,13H,12H2,1H3;1-2H3
InChIKeyZLEKQZZKYJZIAQ-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1,4-bis(2-phenylpropyl)benzene
CID 19376086
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
1-(1-phenylpropan-2-yl)-4-propylbenzene
CID 57021691
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
ethane;2-methylpropylbenzene
CID 162200929
bis[4-[(2R)-2-phenylpropyl]phenyl] carbonate
CID 166745079
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
CID 58698493
pentan-2-ylbenzene;2-propylpentylbenzene
CID 142193599

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenylpropan-2-ylbenzene?
The IUPAC name of ethane;1-phenylpropan-2-ylbenzene (CID 142097323) is ethane;1-phenylpropan-2-ylbenzene.
What is the SMILES notation for ethane;1-phenylpropan-2-ylbenzene?
The canonical SMILES for ethane;1-phenylpropan-2-ylbenzene is CC.CC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of ethane;1-phenylpropan-2-ylbenzene?
The InChIKey is ZLEKQZZKYJZIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C2H6/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;1-2/h2-11,13H,12H2,1H3;1-2H3.
What are the key properties of ethane;1-phenylpropan-2-ylbenzene?
ethane;1-phenylpropan-2-ylbenzene has a molecular weight of 226.36 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenylpropan-2-ylbenzene is sourced from PubChem (CID 142097323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).